ACCESSION: MSBNK-EPA-ENTACT_AGILENT000583
RECORD_TITLE: 1-Dodecanamine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1-Dodecanamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₇N
CH$EXACT_MASS: 185.2143498687
CH$SMILES: CCCCCCCCCCCCN
CH$IUPAC: InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3
CH$LINK: CAS 124-22-1
CH$LINK: INCHIKEY JRBPAEWTRLWTQC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:13583

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 186.2216263204
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4l-9000000000-14b5c0fbc4bc0e77a8da
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  41.038577 14.338298 143
  43.054227 84.639937 845
  57.069877 99.999997 999
  71.085527 31.045646 310
  85.101177 6.455265 64
  186.221626 1.405948 14
//